(3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine

C29H35N5 — CID 138579218

IUPAC(3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
SMILESC=C(c1ccn2c(C)c(-c3cc4cccc(CC)c4n3CC3CC3)nc2c1)N1CCC[C@@H](N)C1
InChIInChI=1S/C29H35N5/c1-4-22-7-5-8-24-15-26(34(29(22)24)17-21-10-11-21)28-20(3)33-14-12-23(16-27(33)31-28)19(2)32-13-6-9-25(30)18-32/h5,7-8,12,14-16,21,25H,2,4,6,9-11,13,17-18,30H2,1,3H3/t25-/m1/s1
InChIKeySCOJRIZNWLXFNT-RUZDIDTESA-N
MW453.63 g/mol
LogP5.63
Rot. Bonds6

About (3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine

(3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine (PubChem CID 138579218) has the molecular formula C29H35N5 and a molecular weight of 453.63 g/mol. Its IUPAC name is (3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
PubChem CID138579218
Molecular FormulaC29H35N5
Molecular Weight453.63 g/mol
Exact Mass453.29
IUPAC Name(3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
SMILESC=C(c1ccn2c(C)c(-c3cc4cccc(CC)c4n3CC3CC3)nc2c1)N1CCC[C@@H](N)C1
InChIInChI=1S/C29H35N5/c1-4-22-7-5-8-24-15-26(34(29(22)24)17-21-10-11-21)28-20(3)33-14-12-23(16-27(33)31-28)19(2)32-13-6-9-25(30)18-32/h5,7-8,12,14-16,21,25H,2,4,6,9-11,13,17-18,30H2,1,3H3/t25-/m1/s1
InChIKeySCOJRIZNWLXFNT-RUZDIDTESA-N
XLogP5.63
TPSA51.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138560570
1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138578765
1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138578606
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-fluoroindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578778
(3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 155011359
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-4-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylpyrrol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 167262267
[(3R)-3-aminopiperidin-1-yl]-[2-(2-ethylphenyl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578596
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138562828
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138561279
(3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 167262140
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-(1-methylindol-2-yl)imidazo[1,2-a]pyridin-7-yl]methanone
CID 138561077
(3-aminopiperidin-1-yl)-[3-methyl-2-(1-methylindol-2-yl)imidazo[1,2-a]pyridin-7-yl]methanone
CID 138561079

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine (CID 138579218) is (3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine is C=C(c1ccn2c(C)c(-c3cc4cccc(CC)c4n3CC3CC3)nc2c1)N1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?
The InChIKey is SCOJRIZNWLXFNT-RUZDIDTESA-N. The full InChI is InChI=1S/C29H35N5/c1-4-22-7-5-8-24-15-26(34(29(22)24)17-21-10-11-21)28-20(3)33-14-12-23(16-27(33)31-28)19(2)32-13-6-9-25(30)18-32/h5,7-8,12,14-16,21,25H,2,4,6,9-11,13,17-18,30H2,1,3H3/t25-/m1/s1.
What are the key properties of (3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?
(3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine has a molecular weight of 453.63 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine is sourced from PubChem (CID 138579218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).